[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-(4-methyl-3-pyridinyl)methanone

C13H18N2O2 — CID 128721004

IUPAC[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)N1C[C@H](C)C[C@H](O)C1
InChIInChI=1S/C13H18N2O2/c1-9-5-11(16)8-15(7-9)13(17)12-6-14-4-3-10(12)2/h3-4,6,9,11,16H,5,7-8H2,1-2H3/t9-,11+/m1/s1
InChIKeyMHPROGSXDBGTAY-KOLCDFICSA-N
MW234.30 g/mol
LogP1.23
Rot. Bonds1

About [(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-(4-methyl-3-pyridinyl)methanone

[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-(4-methyl-3-pyridinyl)methanone (PubChem CID 128721004) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-(4-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-(4-methyl-3-pyridinyl)methanone
PubChem CID128721004
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)N1C[C@H](C)C[C@H](O)C1
InChIInChI=1S/C13H18N2O2/c1-9-5-11(16)8-15(7-9)13(17)12-6-14-4-3-10(12)2/h3-4,6,9,11,16H,5,7-8H2,1-2H3/t9-,11+/m1/s1
InChIKeyMHPROGSXDBGTAY-KOLCDFICSA-N
XLogP1.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-(4-methyl-3-pyridinyl)methanone?
The IUPAC name of [(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-(4-methyl-3-pyridinyl)methanone (CID 128721004) is [(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-(4-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-(4-methyl-3-pyridinyl)methanone?
The canonical SMILES for [(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-(4-methyl-3-pyridinyl)methanone is Cc1ccncc1C(=O)N1C[C@H](C)C[C@H](O)C1.
What is the InChIKey of [(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-(4-methyl-3-pyridinyl)methanone?
The InChIKey is MHPROGSXDBGTAY-KOLCDFICSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-5-11(16)8-15(7-9)13(17)12-6-14-4-3-10(12)2/h3-4,6,9,11,16H,5,7-8H2,1-2H3/t9-,11+/m1/s1.
What are the key properties of [(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-(4-methyl-3-pyridinyl)methanone?
[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-(4-methyl-3-pyridinyl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-(4-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 128721004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).